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Ligand

NameCHEMBL52031
Molecular formulaC25H28N2O4
IUPAC name4-(3,4-dimethoxyphenyl)-3-methoxy-N-(4-pyridin-3-ylbutyl)benzamide
Molecular weight420.509
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50018333
2,3'',4''-Trimethoxy-biphenyl-4-carboxylic acid (4-pyridin-3-yl-butyl)-amide
Inchi KeyCZRCTZVTRRXGOT-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H28N2O4/c1-29-22-12-10-19(15-24(22)31-3)21-11-9-20(16-23(21)30-2)25(28)27-14-5-4-7-18-8-6-13-26-17-18/h6,8-13,15-17H,4-5,7,14H2,1-3H3,(H,27,28)
PubChem CID14570101
ChEMBLCHEMBL52031
IUPHARN/A
BindingDB50018333
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
54574Platelet-activating factor receptorP25105PTAFRHomo sapiens (Human)342

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